2-(2-chloro-4-methylanilino)-2-(2-ethenylphenyl)-N-(2-pyridin-4-ylethyl)acetamide

C24H24ClN3O — CID 11384204

IUPAC2-(2-chloro-4-methylanilino)-2-(2-ethenylphenyl)-N-(2-pyridin-4-ylethyl)acetamide
SMILESC=Cc1ccccc1C(Nc1ccc(C)cc1Cl)C(=O)NCCc1ccncc1
InChIInChI=1S/C24H24ClN3O/c1-3-19-6-4-5-7-20(19)23(28-22-9-8-17(2)16-21(22)25)24(29)27-15-12-18-10-13-26-14-11-18/h3-11,13-14,16,23,28H,1,12,15H2,2H3,(H,27,29)
InChIKeyXLXIVHLJANQKSW-UHFFFAOYSA-N
MW405.93 g/mol
LogP5.20
Rot. Bonds8

About 2-(2-chloro-4-methylanilino)-2-(2-ethenylphenyl)-N-(2-pyridin-4-ylethyl)acetamide

2-(2-chloro-4-methylanilino)-2-(2-ethenylphenyl)-N-(2-pyridin-4-ylethyl)acetamide (PubChem CID 11384204) has the molecular formula C24H24ClN3O and a molecular weight of 405.93 g/mol. Its IUPAC name is 2-(2-chloro-4-methylanilino)-2-(2-ethenylphenyl)-N-(2-pyridin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-methylanilino)-2-(2-ethenylphenyl)-N-(2-pyridin-4-ylethyl)acetamide
PubChem CID11384204
Molecular FormulaC24H24ClN3O
Molecular Weight405.93 g/mol
Exact Mass405.16
IUPAC Name2-(2-chloro-4-methylanilino)-2-(2-ethenylphenyl)-N-(2-pyridin-4-ylethyl)acetamide
SMILESC=Cc1ccccc1C(Nc1ccc(C)cc1Cl)C(=O)NCCc1ccncc1
InChIInChI=1S/C24H24ClN3O/c1-3-19-6-4-5-7-20(19)23(28-22-9-8-17(2)16-21(22)25)24(29)27-15-12-18-10-13-26-14-11-18/h3-11,13-14,16,23,28H,1,12,15H2,2H3,(H,27,29)
InChIKeyXLXIVHLJANQKSW-UHFFFAOYSA-N
XLogP5.20
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.93
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2-chloro-4-methylanilino)-2-(2-ethenylphenyl)-N-(2-pyridin-4-ylethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 127031252
CID 127031252
CID 138543849
CID 138543849
CID 156906712
CID 156906712
CID 162396341
CID 162396341
CID 162396332
CID 162396332
CID 162396334
CID 162396334
CID 162396337
CID 162396337
CID 162396338
CID 162396338
CID 57401143
CID 57401143
CID 11839529
CID 11839529
CID 4381125
CID 4381125
CID 4381127
CID 4381127

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylanilino)-2-(2-ethenylphenyl)-N-(2-pyridin-4-ylethyl)acetamide?
The IUPAC name of 2-(2-chloro-4-methylanilino)-2-(2-ethenylphenyl)-N-(2-pyridin-4-ylethyl)acetamide (CID 11384204) is 2-(2-chloro-4-methylanilino)-2-(2-ethenylphenyl)-N-(2-pyridin-4-ylethyl)acetamide.
What is the SMILES notation for 2-(2-chloro-4-methylanilino)-2-(2-ethenylphenyl)-N-(2-pyridin-4-ylethyl)acetamide?
The canonical SMILES for 2-(2-chloro-4-methylanilino)-2-(2-ethenylphenyl)-N-(2-pyridin-4-ylethyl)acetamide is C=Cc1ccccc1C(Nc1ccc(C)cc1Cl)C(=O)NCCc1ccncc1.
What is the InChIKey of 2-(2-chloro-4-methylanilino)-2-(2-ethenylphenyl)-N-(2-pyridin-4-ylethyl)acetamide?
The InChIKey is XLXIVHLJANQKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O/c1-3-19-6-4-5-7-20(19)23(28-22-9-8-17(2)16-21(22)25)24(29)27-15-12-18-10-13-26-14-11-18/h3-11,13-14,16,23,28H,1,12,15H2,2H3,(H,27,29).
What are the key properties of 2-(2-chloro-4-methylanilino)-2-(2-ethenylphenyl)-N-(2-pyridin-4-ylethyl)acetamide?
2-(2-chloro-4-methylanilino)-2-(2-ethenylphenyl)-N-(2-pyridin-4-ylethyl)acetamide has a molecular weight of 405.93 g/mol, XLogP of 5.20, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methylanilino)-2-(2-ethenylphenyl)-N-(2-pyridin-4-ylethyl)acetamide is sourced from PubChem (CID 11384204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).